PUBCHEM-ZINC00754616 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -4.7860 -3.1410 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -3.5030 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -3.0130 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -3.3240 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.1450 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -4.6220 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -4.3130 -3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -4.8540 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -4.4610 -0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.8480 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -5.8040 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -6.1840 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -5.6260 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -4.6870 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -4.3030 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -6.0800 5.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -5.6330 6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -4.6180 6.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -6.4480 7.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -7.0360 7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -7.6290 9.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -7.6720 9.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -7.1380 9.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -6.5380 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -6.0880 7.6540 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2420 -5.2540 8.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -6.6350 6.6230 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3040 -7.1110 7.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -7.4220 5.9260 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4960 -2.5550 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -4.0450 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -2.5380 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -2.3780 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -2.9180 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -5.2440 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -4.0340 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -5.4410 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -5.5100 -4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -6.2660 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -6.9250 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -4.2460 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.5800 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -6.8260 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -8.0690 9.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -8.1380 10.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -7.1960 10.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -6.8870 7.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 47 2 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 29 -1 M END